SCHEMBL17865696

SCHEMBL17865696

Nc1cc(Cl)cc2cc(CN3CCNC(=O)C3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HRH4 Q9H3N8 1/20 0.40
FGFR1 P11362 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F10 P00742 2/20 0.37
SLC2A1 P11166 2/20 0.37
GRM2 Q14416 1/20 0.35
FGFR3 P22607 2/20 0.35
SLC2A2 P11168 3/20 0.34
PKM P14618 2/20 0.33
DDR1 Q08345 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17865703 0.82 HRH4 (0.43) KMT2AATMHRH4FGFR1SMN1; SMN2
SCHEMBL16525573 0.79 KMT2A (0.40) KMT2AATMFGFR1SMN1; SMN2KDM4E
SCHEMBL28061538 0.76 HRH4 (0.38) HRH4
SCHEMBL17865677 0.75 KMT2A (0.39) KMT2AATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL16525580 0.69 SYK (0.38) KMT2AATMSMN1; SMN2
SCHEMBL4388417 0.68 F10 (0.45) KMT2AATMHRH4KDM4EALDH1A1
SCHEMBL4751222 0.68 SMN1; SMN2 (0.58) KMT2AATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL17865688 0.67 CLPP (0.38) KMT2AATMSMN1; SMN2SLC2A1
SCHEMBL3149433 0.67 ALDH1A1 (0.50) KMT2AATMSMN1; SMN2ALDH1A1GRM2
SCHEMBL17865664 0.66 BRD4 (0.40) KMT2AATMFGFR1KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF KMT2A 4108/4885ATM 2960/4885HRH4 633/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF KMT2A 3771/4885ATM 3152/4885HRH4 739/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.